Oxygen Adsorption and Diffusion on Rare-Earth-Doped Zr (0001) Surfaces: A First-Principles Study. - Liu, Xueying; Pan, Taijun; Yang, Guo; Han, Xingbo; Lv, Lijun; Shen, Hao; Yang, Shuang; Liu, Wei; Wu, Shengwei; Chu, Xinxin (JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2025)